CID 15954784

Schembl10505431

Structural Information

Molecular Formula

C₁₉H₂₅N₅O₂

SMILES

CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NN=NN3C

InChI

InChI=1S/C19H25N5O2/c1-15-14-18(26-21-15)8-6-4-3-5-7-13-25-17-11-9-16(10-12-17)19-20-22-23-24(19)2/h9-12,14H,3-8,13H2,1-2H3

InChIKey

AKSDHWRATAIKOQ-UHFFFAOYSA-N

Compound name

3-methyl-5-[7-[4-(1-methyltetrazol-5-yl)phenoxy]heptyl]-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 355.20084 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	356.208116	184.5
[M+Na]+	378.190058	193.5
[M-H]-	354.193564	189.0
[M+NH4]+	373.234663	192.8
[M+K]+	394.163998	189.3
[M+H-H2O]+	338.198100	172.8
[M+HCOO]-	400.199041	204.0
[M+CH3COO]-	414.214691	194.5
[M+Na-2H]-	376.175506	185.2
[M]+	355.20029142	192.5
[M]-	355.20138858	192.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe